| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol3901 | CC(=O)OCCc1c[nH]cn1 | 2 | 2 |
| mol3902 | CC(=O)n1ccnc1 | 2 | 2 |
| mol3903 | NCc1c[nH]cn1 | 4 | 5 |
| mol3904 | NC(=O)c1c[nH]cn1 | 3 | 3 |
| mol3905 | NC(=O)CCCc1c[nH]cn1 | 2 | 2 |
| mol3906 | Cn1cnc(Cl)c1 | 2 | 2 |
| mol3907 | Cc1cnc(C)[nH]1 | 2 | 2 |
| mol3908 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 3 | 3 |
| mol3909 | c1ccc(-c2nc[nH]c2-c2ccccc2)cc1 | 3 | 3 |
| mol3910 | CCn1ccnc1 | 2 | 2 |
| mol3911 | OCc1c[nH]cn1 | 2 | 2 |
| mol3912 | c1c[nH]c(-c2ncc[nH]2)n1 | 2 | 2 |
| mol3913 | COC(=O)CCCc1c[nH]cn1 | 2 | 2 |
| mol3914 | Cn1ccnc1 | 2 | 2 |
| mol3915 | Cc1c[nH]cn1 | 3 | 3 |
| mol3916 | Cn1cnc([N+](=O)[O-])c1 | 2 | 2 |
| mol3917 | Cn1cncc1[N+](=O)[O-] | 2 | 2 |
| mol3918 | Cn1cnc(-c2ccccc2)c1 | 2 | 2 |
| mol3919 | O=[N+]([O-])c1c[nH]cn1 | 3 | 3 |
| mol3920 | c1ccc(-c2ncc[nH]2)cc1 | 3 | 3 |